4YUB
Crystal structure of human Nicotinic Acid Phosphoribosyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.972 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.018, 101.091, 125.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.19711 |
Rwork | 0.197 |
R-free | 0.24285 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f7f |
RMSD bond length | 0.014 |
RMSD bond angle | 1.832 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MR-Rosetta |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.640 | |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.011 | 0.037 |
Number of reflections | 25261 | |
<I/σ(I)> | 10 | 3.7 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 4.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Sodium cacodylate pH 6.5 and 1.7 M Sodium acetate |